Basic information
- CAS
64047-69-4- Standard SMILES
CC[N+](CC)(CC)CCC[n+]1ccc2ccccc2c1.[Br-].[Br-]- InChIKey
VVWYBGBTZWEMKT-UHFFFAOYSA-L- Molecular formula
- C18H28Br2N2
- Average molar mass
- 432.2 g/mol
- Monoisotopic mass
- 430.06192
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(3-(triethylammonio)propyl)-, dibromide
- IUPAC
- triethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium dibromide
- English name
- triethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium,dibromide
- Molecular formula
- C18H28Br2N2
- Molecular weight
- 432.23632
Names & synonyms
64047-69-4IN 171ISOQUINOLINIUM, 2-(3-(TRIETHYLAMMONIO)PROPYL)-, DIBROMIDEAmmonium, (3-(isoquinolinio)propyl)triethyl-, dibromideRefChem:3500932-(3-(triethylammonio)propyl)isoquinolin-2-ium bromidetriethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium;dibromidetriethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium dibromideDTXSID909822402-(3-(triethylammonio)propyl)isoquinolin-2-iumbromide2-[3-(Triethylazaniumyl)propyl]isoquinolin-2-ium dibromidetriethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium,dibromide
Database identifiers
- CAS
64047-69-4- PubChem CID
- 46733
- DTXSID
DTXSID90982240
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 264
Chemistry & industry
Suppliers5 total
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海纳孚生物科技有限公司021-58952328 13125124762 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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